orbital_charges     :real:2:1,3
  0.519673068405102E+000  0.632466920380278E+000  0.847860011214622E+000
forces              :real:2:3,3
 -0.231386762535891E-001  0.564251876190780E-002 -0.567249993699822E-003
  0.456635015841135E-003  0.124660000137426E-001 -0.123198560466353E-002
  0.226820412377480E-001 -0.181085187756504E-001  0.179923559836335E-002
mermin_energy       :real:0:
 -0.551356747400369E+000
end_coords          :real:2:3,3
  0.201490627482413E+001 -0.319173795393462E+000  0.714353887678562E-001
 -0.169075434483957E+000  0.145443659462532E+001 -0.104734999007201E+000
  0.438951482387430E-001 -0.142720608451589E-002  0.332996102393463E-001
